Zobrazeno 1 - 10
of 845
pro vyhledávání: '"Aradi P"'
Autor:
Mirón, Gonzalo Díaz, Lien-Medrano, Carlos R., Banerjee, Debarshi, Monti, Marta, Aradi, B., Sentef, Michael A., Niehaus, Thomas A., Hassanali, Ali
Non-adiabatic molecular dynamics (NAMD) has become an essential computational technique for studying the photophysical relaxation of molecular systems after light absorption. These phenomena require approximations that go beyond the Born-Oppenheimer
Externí odkaz:
http://arxiv.org/abs/2409.13429
Accurate electronic bandstructures of solids are indispensable for a wide variety of applications and should provide a sound prediction of phonon-induced band gap renormalization at finite temperatures. We employ our previously introduced formalism o
Externí odkaz:
http://arxiv.org/abs/2403.14210
Autor:
Hermann, Jan, Stöhr, Martin, Góger, Szabolcs, Chaudhuri, Shayantan, Aradi, Bálint, Maurer, Reinhard J., Tkatchenko, Alexandre
Many-body dispersion (MBD) is a powerful framework to treat van der Waals (vdW) dispersion interactions in density-functional theory and related atomistic modeling methods. Several independent implementations of MBD with varying degree of functionali
Externí odkaz:
http://arxiv.org/abs/2308.03140
Autor:
György Kröel-Dulay, Attila Rigó, Eszter Tanács, Katalin Szitár, Gábor Ónodi, Eszter Aradi, Zsolt Bakró-Nagy, Marianna Biró, Zoltán Botta-Dukát, Tibor Kalapos, András Kelemen, Annamária Laborczi, László Pásztor, Quinter Akinyi Rabuogi, Andrea Mojzes
Publikováno v:
NeoBiota, Vol 95, Iss , Pp 59-75 (2024)
Sporobolus cryptandrus is a C4 perennial bunchgrass native to extensive areas of North America. As a non-native species, it has been reported from several continents, and it has been described as a transformer species in sand steppes of Central and E
Externí odkaz:
https://doaj.org/article/d491e0d5c961467081e0e83ad4574b04
Publikováno v:
Phys. Rev. Materials 7 (2023), 063802
Screened range-separated hybrid (SRSH) functionals within generalized Kohn-Sham density functional theory (GKS-DFT) have been shown to restore a general $1/(r\varepsilon)$ asymptotic decay of the electrostatic interaction in dielectric environments.
Externí odkaz:
http://arxiv.org/abs/2302.12771
Publikováno v:
Central and Eastern European Migration Review, Vol 13, Iss 1, Pp 89-107 (2024)
In 2015, the inflow of immigrants to Europe increased dramatically. More than 1 million people fled from wars and conflicts in Syria, Iraq and Afghanistan, particularly affecting transit countries along the Western Balkan route. Of all the transit co
Externí odkaz:
https://doaj.org/article/4ab63ceba46942f39a7fc2196f910fb9
Autor:
László V. Módis, Zsófia Aradi, Ildikó Fanny Horváth, Péter Pikó, Gábor Papp, Mátyás Osváth, Antónia Szántó, Antal Bugán
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-9 (2024)
Abstract The role of spirituality in health and disease is a complex and emerging area of research. Incorporating spirituality into the bio-psycho-social model of health and disease leading to the bio-psycho-social-spiritual model provides a more com
Externí odkaz:
https://doaj.org/article/0451e445142047d29ea5704fcd195b0f
The railway timetables are designed in an optimal manner to maximize the capacity usage of the infrastructure concerning different objectives besides avoiding conflicts. The real-time railway traffic management problem occurs when the pre-planned tim
Externí odkaz:
http://arxiv.org/abs/2209.12689
Autor:
Kedward, Laurence, Aradi, Balint, Certik, Ondrej, Curcic, Milan, Ehlert, Sebastian, Engel, Philipp, Goswami, Rohit, Hirsch, Michael, Lozada-Blanco, Asdrubal, Magnin, Vincent, Markus, Arjen, Pagone, Emanuele, Pribec, Ivan, Richardson, Brad, Snyder, Harris, Urban, John, Vandenplas, Jeremie
Publikováno v:
Comput. Sci. Eng. 24 (2022) 63-72
A community of developers has formed to modernize the Fortran ecosystem. In this article, we describe the high-level features of Fortran that continue to make it a good choice for scientists and engineers in the 21st century. Ongoing efforts include
Externí odkaz:
http://arxiv.org/abs/2203.15110
Autor:
van der Heide, Tammo, Kullgren, Jolla, Broqvist, Peter, Bačić, Vladimir, Frauenheim, Thomas, Aradi, Bálint
A new, open source, parallel, stand-alone software package (Fortnet) has been developed, which implements Behler-Parrinello neural networks. It covers the entire workflow from feature generation to the evaluation of generated potentials, coupled with
Externí odkaz:
http://arxiv.org/abs/2202.03118